Mls003106778
Basic information
- CAS
79887-80-2- Standard SMILES
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl- InChIKey
RGUZZJWWYDIHNL-UHFFFAOYSA-N- Molecular formula
- C23H25ClO3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1492223
Names & identifiers
- Preferred name
- Mls003106778
- IUPAC
- 9-(2-chlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Names & synonyms
MLS00310677879887-80-2DTXSID60305947RefChem:357275DTXCID402570769-(2-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dioneNSC172870BAS 00405814TimTec1_007362Oprea1_105101Oprea1_234386CHEMBL2134741
Show more names
HMS1554O14STL168708AKOS000558820NSC-172870SMR0018216659-(2-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2h-xanthen-1,8-dione
Database identifiers
- CAS
79887-80-2- PubChem CID
- 299606
- DTXSID
DTXSID60305947- ChEMBL
CHEMBL2134741- Nikkaji
- J1.810.628K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 704
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Related reactions
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Compound notes
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